3,7-Dihydro-1,3-dimethyl-7-(5-oxohexyl)-1H-purine-2,6-dione
CAS Registry Number®
10226-54-7
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CAS Name
3,7-Dihydro-1,3-dimethyl-7-(5-oxohexyl)-1H-purine-2,6-dioneMolecular Formula
C13H18N4O3Molecular Mass
278.31Cite this Page
3,7-Dihydro-1,3-dimethyl-7-(5-oxohexyl)-1H-purine-2,6-dione. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=10226-54-7 (retrieved ) (CAS RN: 10226-54-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
75-76 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-8-14-11-10(17)12(19)16(3)13(20)15(11)2/h8H,4-7H2,1-3H3
InChIKey
InChIKey=XBEDAMVJWVPVDS-UHFFFAOYSA-N
SMILES
C(CCCC(C)=O)N1C2=C(N(C)C(=O)N(C)C2=O)N=C1
Canonical SMILES
O=C1C2=C(N=CN2CCCCC(=O)C)N(C(=O)N1C)C
Other Names for this Substance
- 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(5-oxohexyl)-
- Theophylline, 7-(5-oxohexyl)-
- 3,7-Dihydro-1,3-dimethyl-7-(5-oxohexyl)-1H-purine-2,6-dione
- 7-(5-Oxohexyl)-1,3-dimethylxanthine
- 1,3-Dimethyl-7-(5-oxohexyl)xanthine
